D494-0451 Screening compound: N-butyl-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

D494-0451 Screening compound: N-butyl-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide
D494-0451 Screening compound: N-butyl-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0451
N-butyl-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D494-0451

Molecular Formula

C17H21N7O (C17 H21 N7 O)

Compound Name

N-butyl-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

IUPAC name

N-butyl-2-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}acetamide

SMILES

CCCCNC(CNc1cc(C)nc2nc(-c3cnccc3)nn12)=O

InChI

InChI=1S/C17H21N7O/c1-3-4-8-19-15(25)11-20-14-9-12(2)21-17-22-16(23-24(14)17)13-6-5-7-18-10-13/h5-7,9-10,20H,3-4,8,11H2,1-2H3,(H,19,25)

InChI Key

JSVOZKMYDXTIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.588

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-1.45

Polar Surface Area

75.265

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D494-0451 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D494-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0451?
Check Price and Availability of D494-0451, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D494-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0451
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D494-0451 available by request